3-chloranyl-6-[4-(4-phenylbutyl)piperazin-1-yl]-5H-benzo[b][1,4]benzodiazepine

Systemtic Name: 3-chloranyl-6-[4-(4-phenylbutyl)piperazin-1-yl]-5H-benzo[b][1,4]benzodiazepine Openeye Name: 3-chloro-6-[4-(4-phenylbutyl)piperazin-1-yl]-5H-benzo[b][1,4]benzodiazepine CAS Name: 3-chloro-6-[4-(4-phenylbutyl)-1-piperazinyl]-5H-benzo[b][1,4]benzodiazepine IUPAC Name: 3-chloro-6-[4-(4-phenylbutyl)piperazin-1-yl]-5H-benzo[b][1,4]benzodiazepine Traditional Name: 3-chloro-6-[4-(4-phenylbutyl)piperazino]-5H-benzo[b][1,4]benzodiazepine Formula: C27H29ClN4 MolecularWeight: 444.99896

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCC2=CC=CC=C2)C3=C4C=CC=CC4=NC5=C(N3)C=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1CCCCC2=CC=CC=C2)C3=C4C=CC=CC4=NC5=C(N3)C=C(C=C5)Cl

InChI

InChI=1S/C27H29ClN4/c28-22-13-14-25-26(20-22)30-27(23-11-4-5-12-24(23)29-25)32-18-16-31(17-19-32)15-7-6-10-21-8-2-1-3-9-21/h1-5,8-9,11-14,20,30H,6-7,10,15-19H2